Compound Detail
CHEMBL420746
CGP-12177 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL420746 |
| Name | CGP-12177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMQUQWCJKFOUGV-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
0.98
ALogP
4
HBA
4
HBD
90.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.91
Kd 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Kd | 9.7 | 8.71 | 0.2 | 2 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 7.91 | 7.91 | 12.3 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 0.2 | nM | 9.7 | Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR express... | 27239696 |
| Beta-1 adrenergic receptor | EC50 | = | 12.3 | nM | 7.91 | Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells as... | 23614528 |
| Beta-2 adrenergic receptor | Kd | = | 19.0 | nM | 7.72 | Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR express... | 27239696 |
| Beta-3 adrenergic receptor | EC50 | = | 2000.0 | nM | 5.7 | Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamst... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8765508 | 10.1021/jm960122v | Oryctolagus cuniculus | 18 |
| 27239696 | 10.1021/acs.jmedchem.6b00358 | Beta-2 adrenergic receptor | 3 |
| - | 10.1016/S0960-894X(96)00603-8 | Beta-3 adrenergic receptor | 2 |
| 23614528 | 10.1021/jm400348g | Beta-1 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 2836587 | 10.1021/jm00401a004 | Beta-2 adrenergic receptor | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine